methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-2-[2-keto-2-(piperonylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C

InChI

InChI=1S/C19H20N2O6/c1-10-17(19(24)25-3)13(21-18(10)11(2)22)7-16(23)20-8-12-4-5-14-15(6-12)27-9-26-14/h4-6,21H,7-9H2,1-3H3,(H,20,23)